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BDBM50334334 CHEMBL1277149::N-benzyl-1-isopropyl-6-propoxy-1H-benzo[d]imidazol-4-amine::cid_44143058

SMILES: CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1

InChI Key: InChIKey=MYWSIEBUDMCSKZ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50334334   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-9


(Homo sapiens (Human))
BDBM50334334
PNG
(CHEMBL1277149 | N-benzyl-1-isopropyl-6-propoxy-1H-...)
Show SMILES CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
Show InChI InChI=1S/C20H25N3O/c1-4-10-24-17-11-18(21-13-16-8-6-5-7-9-16)20-19(12-17)23(14-22-20)15(2)3/h5-9,11-12,14-15,21H,4,10,13H2,1-3H3
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MMDB

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PC cid
PC sid
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PCBioAssay
n/an/a 1.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50334334
PNG
(CHEMBL1277149 | N-benzyl-1-isopropyl-6-propoxy-1H-...)
Show SMILES CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
Show InChI InChI=1S/C20H25N3O/c1-4-10-24-17-11-18(21-13-16-8-6-5-7-9-16)20-19(12-17)23(14-22-20)15(2)3/h5-9,11-12,14-15,21H,4,10,13H2,1-3H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting


Bioorg Med Chem 19: 359-73 (2011)


Article DOI: 10.1016/j.bmc.2010.11.022
BindingDB Entry DOI: 10.7270/Q21G0MJC
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50334334
PNG
(CHEMBL1277149 | N-benzyl-1-isopropyl-6-propoxy-1H-...)
Show SMILES CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
Show InChI InChI=1S/C20H25N3O/c1-4-10-24-17-11-18(21-13-16-8-6-5-7-9-16)20-19(12-17)23(14-22-20)15(2)3/h5-9,11-12,14-15,21H,4,10,13H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM50334334
PNG
(CHEMBL1277149 | N-benzyl-1-isopropyl-6-propoxy-1H-...)
Show SMILES CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
Show InChI InChI=1S/C20H25N3O/c1-4-10-24-17-11-18(21-13-16-8-6-5-7-9-16)20-19(12-17)23(14-22-20)15(2)3/h5-9,11-12,14-15,21H,4,10,13H2,1-3H3
PDB
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PCBioAssay
n/an/a 5.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair